6-chloranyl-4-[ethyl-(phenylmethyl)amino]-2-methyl-5-nitro-pyridine-3-carboxylic acid

Systemtic Name: 6-chloranyl-4-[ethyl-(phenylmethyl)amino]-2-methyl-5-nitro-pyridine-3-carboxylic acid Openeye Name: 4-[benzyl(ethyl)amino]-6-chloro-2-methyl-5-nitro-pyridine-3-carboxylic acid CAS Name: 6-chloro-4-[ethyl-(phenylmethyl)amino]-2-methyl-5-nitro-3-pyridinecarboxylic acid IUPAC Name: 4-[benzyl(ethyl)amino]-6-chloro-2-methyl-5-nitropyridine-3-carboxylic acid Traditional Name: 4-[benzyl(ethyl)amino]-6-chloro-2-methyl-5-nitro-nicotinic acid Formula: C16H16ClN3O4 MolecularWeight: 349.76894

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC1=CC=CC=C1)C2=C(C(=NC(=C2[N+](=O)[O-])Cl)C)C(=O)O

Isomeric SMILES

CCN(CC1=CC=CC=C1)C2=C(C(=NC(=C2[N+](=O)[O-])Cl)C)C(=O)O

InChI

InChI=1S/C16H16ClN3O4/c1-3-19(9-11-7-5-4-6-8-11)13-12(16(21)22)10(2)18-15(17)14(13)20(23)24/h4-8H,3,9H2,1-2H3,(H,21,22)